8H-051
TL;DR: 8H-051 (CAS 321574-30-5) is a chemical compound with molecular formula C13H8ClF3N4O2 and molecular weight 344.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazole-5-carboxylate
Also Known As: 8H-051, ethyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-1H-pyrazole-5-carboxylate, ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-cyanopyrazole-3-carboxylate, ethyl 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-cyano-1H-pyrazole-5-carboxylate, ethyl1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-cyano-1H-pyrazole-5-carboxylate
| Molecular Formula | C13H8ClF3N4O2 |
|---|---|
| Molecular Weight | 344.03 g/mol |
| LogP | 2.98788 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.02878 |
| Heavy Atoms | 23 |
| Complexity | 795.4929 |
Chemical Identifiers
| CAS Number | 321574-30-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=NN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
8H-051 (CAS 321574-30-5), with molecular formula C13H8ClF3N4O2 and molecular weight 344.03 g/mol. IUPAC: ethyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazole-5-carboxylate.
Chemical Property Profile of 8H-051
Property Insights of 8H-051
The XLogP value of 2.98788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8H-051. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8H-051. Following Lipinski's Rule of Five, 8H-051 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8H-051?
The CAS number of 8H-051 is 321574-30-5.
What is the molecular formula of 8H-051?
The molecular formula of 8H-051 is C13H8ClF3N4O2.
What is the molecular weight of 8H-051?
The molecular weight of 8H-051 is 344.03 g/mol.
Where can I buy 8H-051?
You can request a quote for 8H-051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8H-051?
Yes, KEHONG BIO provides custom synthesis services for 8H-051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.